[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

C23H22N2O3 — CID 38530845

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C23H22N2O3/c1-3-17-8-7-11-19(14-17)25-22(26)15-28-23(27)20-12-13-21(24-16(20)2)18-9-5-4-6-10-18/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyGWNITMZHVIYKSX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.41
Rot. Bonds6

About [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate

[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 38530845) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID38530845
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C23H22N2O3/c1-3-17-8-7-11-19(14-17)25-22(26)15-28-23(27)20-12-13-21(24-16(20)2)18-9-5-4-6-10-18/h4-14H,3,15H2,1-2H3,(H,25,26)
InChIKeyGWNITMZHVIYKSX-UHFFFAOYSA-N
XLogP4.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55462780
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3-ethylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2513141
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463162
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 6-(3-bromophenyl)-2-methylpyridine-3-carboxylate
CID 17485995
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512455
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55463613

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate (CID 38530845) is [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is CCc1cccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is GWNITMZHVIYKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-17-8-7-11-19(14-17)25-22(26)15-28-23(27)20-12-13-21(24-16(20)2)18-9-5-4-6-10-18/h4-14H,3,15H2,1-2H3,(H,25,26).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate?
[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 38530845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).